N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide

C13H9ClN2O5S — CID 11439243

IUPACN-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN2O5S/c14-10-3-7-12(8-4-10)22(20,21)15-13(17)9-1-5-11(6-2-9)16(18)19/h1-8H,(H,15,17)
InChIKeyNOPPJNVGKXKZSN-UHFFFAOYSA-N
MW340.74 g/mol
LogP2.37
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide

N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide (PubChem CID 11439243) has the molecular formula C13H9ClN2O5S and a molecular weight of 340.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
PubChem CID11439243
Molecular FormulaC13H9ClN2O5S
Molecular Weight340.74 g/mol
Exact Mass339.99
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN2O5S/c14-10-3-7-12(8-4-10)22(20,21)15-13(17)9-1-5-11(6-2-9)16(18)19/h1-8H,(H,15,17)
InChIKeyNOPPJNVGKXKZSN-UHFFFAOYSA-N
XLogP2.37
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide (CID 11439243) is N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
The InChIKey is NOPPJNVGKXKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O5S/c14-10-3-7-12(8-4-10)22(20,21)15-13(17)9-1-5-11(6-2-9)16(18)19/h1-8H,(H,15,17).
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide has a molecular weight of 340.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide is sourced from PubChem (CID 11439243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).